About ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (PubChem CID 3806439) has the molecular formula C23H27N5O6
and a molecular weight of 469.50 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.
Molecular Properties
| Compound Name | ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate |
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| PubChem CID | 3806439 |
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| Molecular Formula | C23H27N5O6 |
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| Molecular Weight | 469.50 g/mol |
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| Exact Mass | 469.20 |
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| IUPAC Name | ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate |
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| SMILES | CCOC(=O)CON=C(C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1)c1ccn[nH]1 |
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| InChI | InChI=1S/C23H27N5O6/c1-2-32-20(29)15-33-26-21(18-8-11-24-25-18)22(30)27-12-9-17(10-13-27)28-14-19(34-23(28)31)16-6-4-3-5-7-16/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,24,25) |
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| InChIKey | ZHBOGWWWQSJVFE-UHFFFAOYSA-N |
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| XLogP | 1.88 |
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| TPSA | 126.42 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 469.50 |
| LogP ≤ 5 | 1.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The IUPAC name of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (CID 3806439) is ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is CCOC(=O)CON=C(C(=O)N1CCC(N2CC(c3ccccc3)OC2=O)CC1)c1ccn[nH]1.
What is the InChIKey of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The InChIKey is ZHBOGWWWQSJVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O6/c1-2-32-20(29)15-33-26-21(18-8-11-24-25-18)22(30)27-12-9-17(10-13-27)28-14-19(34-23(28)31)16-6-4-3-5-7-16/h3-8,11,17,19H,2,9-10,12-15H2,1H3,(H,24,25).
What are the key properties of ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate has a molecular weight of 469.50 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is sourced from PubChem (CID 3806439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).